122 citations · 488 across the 17 of their papers we have counts for
3 papers · 1 filter
Associative bond swaps in molecular dynamics
Simone Ciarella, Wouter G. Ellenbroek
We implement a three-body potential to model associative bond swaps, and release it as part of the HOOMD-blue software. The use of a three-body potential to model swaps has been pr…
Understanding, predicting, and tuning the fragility of vitrimeric polymers
Simone Ciarella, Rutger A. Biezemans, Liesbeth M. C. Janssen
Fragility is an empirical property that describes how abruptly a glass-forming material solidifies upon supercooling. The degree of fragility carries important implications for the…
Stimuli-responsive behavior of PNiPAm microgels under interfacial confinement
Johannes Harrer, Marcel Rey, Simone Ciarella +3
The volume phase transition of microgels is one of the most paradigmatic examples of stimuli-responsiveness, enabling a collapse from a highly swollen microgel state into a densely…